Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | BTK | Q06187 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | PLIN5 | Q00G26 | 1/20 | 0.32 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.32 |
| ▸ | ABHD5 | Q8WTS1 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL24618685 | 1.00 | KCNH2 (0.35) | KCNH2BTKHSD11B1ALDH1A1NPSR1 | |
| SCHEMBL2928608 | 0.84 | CCR1 (0.40) | BTKHSD11B1ALDH1A1MTORPMP22 | |
| SCHEMBL29898877 | 0.81 | HRH1 (0.42) | KCNH2BTKSMN1; SMN2 | |
| SCHEMBL25607561 | 0.81 | KCNH2 (0.46) | KCNH2BTKALDH1A1NPSR1MTOR | |
| SCHEMBL27800459 | 0.81 | KCNH2 (0.35) | KCNH2BTKTDP1 | |
| SCHEMBL22598222 | 0.79 | ALDH1A1 (0.42) | KCNH2BTKALDH1A1NPSR1SMN1; SMN2 | |
| SCHEMBL4273309 | 0.79 | KCNH2 (0.52) | KCNH2HSD11B1NPSR1TDP1PGK1 | |
| SCHEMBL11340426 | 0.78 | KCNH2 (0.56) | KCNH2BTKALDH1A1MTORPMP22 | |
| SCHEMBL31008173 | 0.76 | CCR1 (0.40) | KCNH2BTK | |
| SCHEMBL4046367 | 0.76 | CCR1 (0.40) | KCNH2BTK |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115867553-A | Diaminopyrazolo [1,5-a ] pyrimidine-6-carbonitrile compounds as adenosine 2A receptor and adenosine 2B receptor antagonists | 巴格沃克斯研究有限公司 | 2023-03-28 | — | — | CN | disclosed |